methyl 2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC)C

InChI

InChI=1S/C17H20N2O3S/c1-10-7-6-8-19(12(10)3)9-14(20)18-16-15(17(21)22-5)11(2)13(4)23-16/h6-8H,9H2,1-5H3/p+1